SCHEMBL619732

SCHEMBL619732

CN(Cc1ccc2c(c1)OCCO2)C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
HRH2 P25021 1/20 0.44
KCNH2 Q12809 2/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
KMT2A Q03164 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2797989 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2KMT2A
SCHEMBL1230366 0.78 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2NOS3
SCHEMBL621789 0.76 MEN1 (0.42) KMT2A
SCHEMBL621791 0.76 MEN1 (0.42) KMT2A
Hydrochloric Acid SCHEMBL11684874 0.76 HRH3 (0.56) HRH2KMT2AHRH4HRH3
SCHEMBL17297786 0.76 HRH2 (0.54) SLC6A2SLC6A4SLC6A3HRH2KMT2A
SCHEMBL17297784 0.76 HRH2 (0.54) SLC6A2SLC6A4SLC6A3HRH2KMT2A
SCHEMBL17297966 0.76 HRH2 (0.54) SLC6A2SLC6A4SLC6A3HRH2KMT2A
SCHEMBL2403247 0.75 SIGMAR1 (0.52)
SCHEMBL2799447 0.75 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US disclosed
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 SLC6A2 2651/4885SLC6A4 2508/4885SLC6A3 1572/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH SLC6A2 3304/4885SLC6A4 3515/4885SLC6A3 1974/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH SLC6A2 3304/4885SLC6A4 3515/4885SLC6A3 1974/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.